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	hartrees
Energy at 0K	-268.115765
Energy at 298.15K	-268.122169
HF Energy	-267.541490
Nuclear repulsion energy	217.053879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3328	3184	0.68
2	A'	3312	3169	0.55
3	A'	3265	3124	2.20
4	A'	3139	3003	20.58
5	A'	3056	2924	29.91
6	A'	1620	1550	1.17
7	A'	1573	1505	6.38
8	A'	1499	1434	10.17
9	A'	1494	1429	1.00
10	A'	1402	1341	9.33
11	A'	1287	1232	0.12
12	A'	1258	1204	0.18
13	A'	1171	1120	23.24
14	A'	1065	1019	10.82
15	A'	1045	1000	5.43
16	A'	998	955	15.96
17	A'	983	940	1.62
18	A'	866	829	30.36
19	A'	636	609	3.02
20	A'	330	316	0.81
21	A"	3130	2995	23.55
22	A"	1555	1488	6.61
23	A"	1111	1063	1.39
24	A"	743	711	1.75
25	A"	710	679	82.18
26	A"	652	624	2.31
27	A"	589	563	20.04
28	A"	554	530	0.17
29	A"	250	239	1.90
30	A"	112	107	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.723	-1.490	0.000
C2	-1.114	-0.127	0.000
C3	0.693	-1.492	0.000
C4	0.000	0.689	0.000
C5	1.158	-0.195	0.000
C6	0.020	2.199	0.000
H7	-2.181	0.049	0.000
H8	1.155	-2.469	0.000
H9	2.200	0.109	0.000
H10	-1.004	2.598	0.000
H11	0.534	2.593	0.889
H12	0.534	2.593	-0.889

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.4172	1.4159	2.2950	2.2838	3.7629	2.1198	2.1174	3.3318	4.0976	4.3630	4.3630
C2	1.4172		2.2638	1.3805	2.2730	2.5880	1.0817	3.2597	3.3224	2.7277	3.3020	3.3020
C3	1.4159	2.2638		2.2876	1.3777	3.7516	3.2607	1.0805	2.1986	4.4279	4.1828	4.1828
C4	2.2950	1.3805	2.2876		1.4568	1.5108	2.2726	3.3615	2.2755	2.1576	2.1681	2.1681
C5	2.2838	2.2730	1.3777	1.4568		2.6509	3.3481	2.2736	1.0854	3.5325	2.9917	2.9917
C6	3.7629	2.5880	3.7516	1.5108	2.6509		3.0767	4.8036	3.0205	1.0992	1.0995	1.0995
H7	2.1198	1.0817	3.2607	2.2726	3.3481	3.0767		4.1790	4.3816	2.8075	3.8249	3.8249
H8	2.1174	3.2597	1.0805	3.3615	2.2736	4.8036	4.1790		2.7815	5.5075	5.1760	5.1760
H9	3.3318	3.3224	2.1986	2.2755	1.0854	3.0205	4.3816	2.7815		4.0579	3.1202	3.1202
H10	4.0976	2.7277	4.4279	2.1576	3.5325	1.0992	2.8075	5.5075	4.0579		1.7765	1.7765
H11	4.3630	3.3020	4.1828	2.1681	2.9917	1.0995	3.8249	5.1760	3.1202	1.7765		1.7772
H12	4.3630	3.3020	4.1828	2.1681	2.9917	1.0995	3.8249	5.1760	3.1202	1.7765	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.229	O1	C2	H7	115.391
O1	C3	C5	109.670	O1	C3	H8	115.368
C2	O1	C3	106.076	C2	C4	C5	106.442
C2	C4	C6	126.985	C3	C5	C4	107.584
C3	C5	H9	125.998	C4	C2	H7	134.381
C4	C5	H9	126.419	C4	C6	H10	110.530
C4	C6	H11	111.353	C4	C6	H12	111.353
C5	C3	H8	134.962	C5	C4	C6	126.573
H10	C6	H11	107.804	H10	C6	H12	107.804
H11	C6	H12	107.841

All results from a given calculation for C₅H₆O (3-Methylfuran)

using model chemistry: MP2/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H6O (3-Methylfuran)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₅H₆O (3-Methylfuran)